SCHEMBL4496191

SCHEMBL4496191

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(CCN(C)C)C(N)=O)c2)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.64
PIK3CG P48736 11/20 0.54
PIK3CA P42336 4/20 0.54
PIK3CB P42338 3/20 0.54
PRKDC P78527 2/20 0.50
MTOR P42345 1/20 0.50
RPTOR Q8N122 1/20 0.50
MLST8 Q9BVC4 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PIK3C2B O00750 1/20 0.47
PIK3C2G O75747 1/20 0.47
MAPT P10636 3/20 0.46
PIK3C3 Q8NEB9 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TNF P01375 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4636688 0.84 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4457141 0.84 PIK3CG (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4496200 0.84 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4342138 0.83 PIK3CG (0.60) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4347625 0.81 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4636096 0.81 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4669581 0.81 PIK3CG (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL2281157 0.81 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL2278371 0.81 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL1790549 0.81 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed